SCHEMBL4734765

SCHEMBL4734765

CC(C)N1CCN(C(=O)c2ccc(C(CCN(C)C)Oc3ccccc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 1.00
SLC6A4 P31645 8/20 1.00
SLC6A2 P23975 2/20 0.49
CACNA2D1 P54289 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4735283 0.87 HRH3 (1.00) HRH3SLC6A4
SCHEMBL4925879 0.87 HRH3 (1.00) HRH3SLC6A4
SCHEMBL4781197 0.86 HRH3 (0.75) HRH3SLC6A4SLC6A2
SCHEMBL4785422 0.80 HRH3 (0.66) HRH3SLC6A4
SCHEMBL4783403 0.80 HRH3 (0.66) HRH3SLC6A4SLC6A2
SCHEMBL4919233 0.79 HRH3 (0.85) HRH3SLC6A4
Trifluoroacetic Acid SCHEMBL4924383 0.78 HRH3 (0.79) HRH3SLC6A4
SCHEMBL4733830 0.78 HRH3 (0.83) HRH3SLC6A4
Trifluoroacetic Acid SCHEMBL4916696 0.77 HRH3 (0.78) HRH3SLC6A4
SCHEMBL4920970 0.77 HRH3 (1.00) HRH3SLC6A4SLC6A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US claimed
WO-2008064036-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-29 WO claimed
US-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
US-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
US-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 US disclosed
WO-2008064036-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-29 WO disclosed
WO-2008064036-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139564-A1 SUBSTITUTED PHENYL PROPYL AMINES AS HISTAMINE H3 RECEPTOR AND SEROTONIN TRANSPORTER MODULATORS HRH3, SLC6A4, HNMT HRH3 1/4885SLC6A4 2/4885SLC6A2 9/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.